8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H8F3IN2 — CID 62203049

IUPAC8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(I)cccc12
InChIInChI=1S/C11H8F3IN2/c1-16-8-5-9(11(12,13)14)17-10-6(8)3-2-4-7(10)15/h2-5H,1H3,(H,16,17)
InChIKeyDGFBGSFIPYYYAY-UHFFFAOYSA-N
MW352.10 g/mol
LogP3.90
Rot. Bonds1

About 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine

8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62203049) has the molecular formula C11H8F3IN2 and a molecular weight of 352.10 g/mol. Its IUPAC name is 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62203049
Molecular FormulaC11H8F3IN2
Molecular Weight352.10 g/mol
Exact Mass351.97
IUPAC Name8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(I)cccc12
InChIInChI=1S/C11H8F3IN2/c1-16-8-5-9(11(12,13)14)17-10-6(8)3-2-4-7(10)15/h2-5H,1H3,(H,16,17)
InChIKeyDGFBGSFIPYYYAY-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 62203049) is 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine is CNc1cc(C(F)(F)F)nc2c(I)cccc12.
What is the InChIKey of 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is DGFBGSFIPYYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3IN2/c1-16-8-5-9(11(12,13)14)17-10-6(8)3-2-4-7(10)15/h2-5H,1H3,(H,16,17).
What are the key properties of 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 352.10 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62203049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).